// Created by libAntimony v2.8.0 model *Nazaret2009_TCA_RC_ATP() // Compartments and Species: compartment cytoplasm, mitochondrion; species $ADP in mitochondrion, ATP in mitochondrion, $H in mitochondrion; species $He in cytoplasm, NAD in mitochondrion, $NADH in mitochondrion; species AcCoA in mitochondrion, KG in mitochondrion, Cit in mitochondrion; species OAA in mitochondrion, $O2 in mitochondrion, $iP in mitochondrion; species Pyr in mitochondrion, $H2O in mitochondrion; // Assignment Rules: ADP := At_ - ATP; NADH := Nt - NAD; ATPcrit := At_/(1 + exp((-3*DeltaGtransport)/(R*T))/(Kapp*iP)); DeltaGtransport := 1.2*F*DeltaPsi; Jresp := (kresp*((Nt - NAD)/((K + Nt) - NAD)))/(1 + exp(a*(DeltaPsi - DeltaPsim))); JATP := kATP*(2/(1 + exp(b*(ATP - ATPcrit))) - 1); Jleak := kleak*DeltaPsi; JANT := kANT*ATP; // Rate Rules: DeltaPsi' = (10*Jresp - 3*JATP - Jleak - JANT)/C; // Reactions: v1: => Pyr; mitochondrion*v1_k1; v2: Pyr + NAD => AcCoA + $NADH; mitochondrion*v2_k2*Pyr*NAD; v3: OAA + AcCoA => Cit; mitochondrion*v3_k3*OAA*AcCoA; v4: Cit + NAD => KG + $NADH; mitochondrion*v4_k4*Cit*NAD; v5: KG + $ADP + 2NAD => OAA + ATP + 2$NADH; mitochondrion*v5_k5*KG*NAD*(At_ - ATP); v6: OAA -> KG; mitochondrion*v6_k6*(OAA - KG/v6_Keq); v7: Pyr + ATP => OAA + $ADP; mitochondrion*v7_k7*Pyr*ATP; v8: OAA => ; mitochondrion*v8_k8*OAA; vresp: $NADH + 0.5$O2 + 11$H => NAD + $H2O + 10$He; mitochondrion*Jresp; vATP: $ADP + $iP + 3$He -> ATP + $H2O + 3$H; mitochondrion*JATP; vANT: ATP => $ADP; mitochondrion*JANT; vleak: $He => $H; mitochondrion*Jleak; // Species initializations: ATP = 3.536; H = 1; He = 1; NAD = 0.856; AcCoA = 0.063; KG = 0.225; Cit = 0.44; OAA = 0.005; O2 = 1; iP = 2.44; Pyr = 0.154; H2O = 1; // Compartment initializations: cytoplasm = 1; mitochondrion = 1; // Variable initializations: At_ = 4.16; At_ has mM; Nt = 1.07; Nt has mM; ATPcrit has mM; DeltaGtransport has mJ_per_mol; R = 8314; R has mJ_per_mol_per_K; T = 298; T has kelvin; Kapp = 4.4e-009; Kapp has per_mM; C = 6.75e-006; C has mM_per_mV; F = 96485; F has C_per_mol; DeltaPsi = 150; DeltaPsi has mV; Jresp has mM_per_s; JATP has mM_per_s; Jleak has mM_per_s; JANT has mM_per_s; DeltaPsim = 150; DeltaPsim has mV; kANT = 0.05387; kANT has per_s; kATP = 131.9; kATP has mM_per_s; b = 0.004; b has per_mM; kleak = 0.000426; kleak has mM_per_s_per_mV; kresp = 2.5; kresp has mM_per_s; K = 2; K has mM; a = 0.1; a has per_mV; v1_k1 = 0.038; v1_k1 has mM_per_s; v2_k2 = 0.152; v2_k2 has per_mM_per_s; v3_k3 = 57.142; v3_k3 has per_mM_per_s; v4_k4 = 0.053; v4_k4 has per_mM_per_s; v5_k5 = 0.082361; v5_k5 has per_mM_squared_per_s; v6_k6 = 0.0032; v6_k6 has per_s; v6_Keq = 0.3975; v6_Keq has dimensionless; v7_k7 = 0.04; v7_k7 has per_mM_per_s; v8_k8 = 3.6; v8_k8 has per_s; // Other declarations: var ATPcrit, DeltaGtransport, DeltaPsi, Jresp, JATP, Jleak, JANT; const cytoplasm, mitochondrion, At_, Nt, R, T, Kapp, C, F, DeltaPsim, kANT; const kATP, b, kleak, kresp, K, a; // Unit definitions: unit substance = 1e-3 mole; unit C_per_mol = 1e1 coulomb / 1e1 mole; unit mJ_per_mol_per_K = 1e-3 joule / (1e1 mole * 1e1 kelvin); unit mJ_per_mol = 1e-3 joule / 1e1 mole; unit mM = 1e-3 mole / 1e1 litre; unit mM_per_mV = 1e-3 mole / (1e1 litre * 1e-3 volt); unit mM_per_s = 1e-3 mole / (1e1 litre * 1e1 second); unit mM_per_s_per_mV = 1e-3 mole / (1e1 litre * 1e1 second * 1e-3 volt); unit mV = 1e-3 volt; unit per_mM = 1e1 litre / 1e-3 mole; unit per_mM_per_s = 1e1 litre / (1e-3 mole * 1e1 second); unit per_mM_squared_per_s = (1e1 litre)^2 / ((1e-3 mole)^2 * 1e1 second); unit per_mV = 1 / 1e-3 volt; unit per_s = 1 / 1e1 second; // Display Names: C_per_mol is "coulomb per mole"; mJ_per_mol_per_K is "milliJoule per mole per Kelvin"; mJ_per_mol is "milliJoules per mole"; mM is "millimolar"; mM_per_mV is "millimolar per millivolt"; mM_per_s is "millimolar per second"; mM_per_s_per_mV is "millimolar per second per millivolt"; mV is "millivolt"; per_mM is "per mM"; per_mM_per_s is "per millimolar per second"; per_mM_squared_per_s is "per millimolar squared per second"; per_mV is "per millivolt"; per_s is "per second"; mitochondrion is "mitochondrial matrix"; H is "H+"; He is "H+"; NAD is "NAD(+)"; AcCoA is "acetyl-CoA"; KG is "alpha-ketoglutarate"; Cit is "citrate"; OAA is "oxaloacetate"; O2 is "oxygen"; iP is "phosphate"; Pyr is "pyruvate"; H2O is "water"; R is "gas constant"; T is "absolute temperature"; F is "Faraday constant"; end